N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine

C13H13NO — CID 779835

IUPACN-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)c(C)c1
InChIInChI=1S/C13H13NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h3-9H,1-2H3/b14-9+
InChIKeyMXUPSWITNAWTCS-NTEUORMPSA-N
MW199.25 g/mol
LogP3.65
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine

N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine (PubChem CID 779835) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine
PubChem CID779835
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine
SMILESCc1ccc(/N=C/c2ccco2)c(C)c1
InChIInChI=1S/C13H13NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h3-9H,1-2H3/b14-9+
InChIKeyMXUPSWITNAWTCS-NTEUORMPSA-N
XLogP3.65
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(Furfurylidene)-P-anisidine
CID 778756
3-(2-Furyl)acrylaldehyde (4-methylphenyl)hydrazone
CID 9725680
2-{[(5-Methyl-2-furyl)methylene]amino}benzamide
CID 577583
N-Furfurylidene-M-toluidine
CID 5046711
(Z)-2-methyl-N-((5-methylfuran-2-yl)methylene)aniline oxide
CID 5890581
Benzoic acid, 2-[(2-furanylmethylene)amino]-
CID 690980
1-(furan-2-yl)-N-phenylmethanimine oxide
CID 1585019
2-[(E)-2-(4-isocyanophenyl)ethenyl]furan
CID 162658422
N-furfurylidene-p-toluidine
CID 899953
Benzenamine, N-(2-furanylmethylene)-2-methoxy-
CID 11390044
N-[(Z)-furan-2-ylmethylidene]-N-phenylamine oxide
CID 717510
Propanimidamide, 2-((2-furanylmethylene)hydrazono)-N-hydroxy-N'-(4-methylphenyl)-
CID 135599754

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine (CID 779835) is N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine is Cc1ccc(/N=C/c2ccco2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
The InChIKey is MXUPSWITNAWTCS-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h3-9H,1-2H3/b14-9+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine has a molecular weight of 199.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 779835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).